3-[2-(2,6-difluorophenyl)ethyl]piperidine

• ChemBase ID: 515303
• Molecular Formular: C13H17F2N
• Molecular Mass: 225.2775864
• Monoisotopic Mass: 225.13290599
• SMILES: c1(CCC2CNCCC2)c(F)cccc1F
• Canonical SMILES: Fc1cccc(c1CCC1CCCNC1)F
• InChI: InChI=1S/C13H17F2N/c14-12-4-1-5-13(15)11(12)7-6-10-3-2-8-16-9-10/h1,4-5,10,16H,2-3,6-9H2
• InChIKey: YONVUWWUQWSFQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,6-difluorophenyl)ethyl]piperidine
• IUPAC Traditional name: 3-[2-(2,6-difluorophenyl)ethyl]piperidine
• Synonyms: 3-[2-(2,6-difluorophenyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.09643041
• LogD (pH = 7.4): 0.4707588
• Log P: 3.3308058
• Molar Refractivity: 61.0368 cm^3
• Polarizability: 23.263615 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.54
• LOG S: -2.86
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3